Structure Checking of Molecules

Structure Checker interactively detects and fixes structural issues of chemical compounds.

images/download/attachments/1803797/structure_checker_workflow.png

A user-specified Checker searches the molecule for structural problems and in case of concerns found, the structure is labeled. In the next step, the reported problem can be fixed by a Fixer. This can be done automatically by a built-in Fixer or manually by the user. In both cases, the output molecule is devoid of the structural issue in question. For some structural matters, there is no fixing option available, thus Structure Checker can only detect the problematic features in that case.


Learn about the available Checkers and Fixers of Structure Checker here.